5,5-difluoro-4-phenylpent-4-en-2-ol

C11H12F2O — CID 11148299

IUPAC5,5-difluoro-4-phenylpent-4-en-2-ol
SMILESCC(O)CC(=C(F)F)c1ccccc1
InChIInChI=1S/C11H12F2O/c1-8(14)7-10(11(12)13)9-5-3-2-4-6-9/h2-6,8,14H,7H2,1H3
InChIKeyOLRUUARICYOEPN-UHFFFAOYSA-N
MW198.21 g/mol
LogP3.07
Rot. Bonds3

About 5,5-difluoro-4-phenylpent-4-en-2-ol

5,5-difluoro-4-phenylpent-4-en-2-ol (PubChem CID 11148299) has the molecular formula C11H12F2O and a molecular weight of 198.21 g/mol. Its IUPAC name is 5,5-difluoro-4-phenylpent-4-en-2-ol.

Molecular Properties

Compound Name5,5-difluoro-4-phenylpent-4-en-2-ol
PubChem CID11148299
Molecular FormulaC11H12F2O
Molecular Weight198.21 g/mol
Exact Mass198.09
IUPAC Name5,5-difluoro-4-phenylpent-4-en-2-ol
SMILESCC(O)CC(=C(F)F)c1ccccc1
InChIInChI=1S/C11H12F2O/c1-8(14)7-10(11(12)13)9-5-3-2-4-6-9/h2-6,8,14H,7H2,1H3
InChIKeyOLRUUARICYOEPN-UHFFFAOYSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Phenylethanol
CID 6054
1-Phenylethanol
CID 7409
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
Benzenepropanol
CID 31234
2-Methyl-1-phenyl-2-propanol
CID 7531
alpha-(2-Methylpropyl)benzeneethanol
CID 62661
2-Phenyl-1-propanol
CID 14295
4-Phenyl-2-butanol
CID 61302
5-Phenyl-1-pentanol
CID 61523
1-Phenylethanol, (S)-
CID 443135
1-Phenylethanol, (R)-
CID 637516

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-4-phenylpent-4-en-2-ol?
The IUPAC name of 5,5-difluoro-4-phenylpent-4-en-2-ol (CID 11148299) is 5,5-difluoro-4-phenylpent-4-en-2-ol.
What is the SMILES notation for 5,5-difluoro-4-phenylpent-4-en-2-ol?
The canonical SMILES for 5,5-difluoro-4-phenylpent-4-en-2-ol is CC(O)CC(=C(F)F)c1ccccc1.
What is the InChIKey of 5,5-difluoro-4-phenylpent-4-en-2-ol?
The InChIKey is OLRUUARICYOEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O/c1-8(14)7-10(11(12)13)9-5-3-2-4-6-9/h2-6,8,14H,7H2,1H3.
What are the key properties of 5,5-difluoro-4-phenylpent-4-en-2-ol?
5,5-difluoro-4-phenylpent-4-en-2-ol has a molecular weight of 198.21 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-4-phenylpent-4-en-2-ol is sourced from PubChem (CID 11148299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).